[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl] 4-nitrobenzoate

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl] 4-nitrobenzoate Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methyl-4-oxo-chromen-7-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-keto-2-methyl-chromen-7-yl] ester Formula: C27H21NO8 MolecularWeight: 487.45754

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCO4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCO4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H21NO8/c1-3-16-12-20-23(14-22(16)36-27(30)17-4-7-19(8-5-17)28(31)32)35-15(2)25(26(20)29)18-6-9-21-24(13-18)34-11-10-33-21/h4-9,12-14H,3,10-11H2,1-2H3